7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid

Base Information

Chemical Name:7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid
CAS No.:78852-98-9
Molecular Formula:C₁₆H₂₆N₂O₅S
Molecular Weight:358.459
Hs Code.:
ChEMBL ID:CHEMBL1741033

Synonyms:78852-98-9;7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid;2-Heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-;C16-H26-N2-O5-S;7-[(2-Amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-2-heptenoic acid;CHEMBL1741033;CHEBI:91950;7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid;EN300-297464;7-[(2-amino-2-carboxyethyl)sulfanyl]-2-[(2,2-dimethylcyclopropyl)formamido]hept-2-enoic acid;7-[(2-Amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-2-heptenoicacid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid

Chemical Property:

Vapor Pressure:7.13E-19mmHg at 25°C
Boiling Point:655.5°C at 760 mmHg
Flash Point:350.2°C
Density:1.275g/cm³
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:358.15624311
Heavy Atom Count:24
Complexity:519

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C
Isomeric SMILES:CC1(CC1C(=O)N/C(=C/CCCCSCC(C(=O)O)N)/C(=O)O)C

Technology Process of 7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid

There total 20 articles about 7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

: 877674-77-6,166037-21-4
(Z)-7-chloro-2 ((2s)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid

: 52-89-1
l-cysteine hydrochloride

: 82009-34-5,78852-98-9
cilastatine

Guidance literature:: (Z)-7-chloro-2 ((2s)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid; With sodium hydroxide; In water; at 5 ℃; for 0.166667h;

l-cysteine hydrochloride; In water; at 45 - 50 ℃; for 0.166667h; Temperature;

Reference yield:

: cilastatin calcium

: 82009-34-5,78852-98-9
cilastatine

Guidance literature:: With hydrogenchloride; In water; at 20 ℃; pH=3; Inert atmosphere;

Reference yield:

: 877674-77-6,166037-21-4
(Z)-7-chloro-2 ((2s)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid

: L-cysteine hydrochloride

: 82009-34-5,78852-98-9
cilastatine

Guidance literature:: (Z)-7-chloro-2 ((2s)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid; L-cysteine hydrochloride; With sodium hydroxide; In methanol; Reflux;

In water; butan-1-ol; at 25 - 30 ℃; pH=3 - 3.5;